These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

138 related articles for article (PubMed ID: 28527470)

  • 1. On the calculations of the static electronic dipole (hyper)polarizability for the free and spatially confined H
    Chołuj M; Bartkowiak W; Naciążek P; Strasburger K
    J Chem Phys; 2017 May; 146(19):194301. PubMed ID: 28527470
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
    Neese F; Valeev EF
    J Chem Theory Comput; 2011 Jan; 7(1):33-43. PubMed ID: 26606216
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities.
    Hickey AL; Rowley CN
    J Phys Chem A; 2014 May; 118(20):3678-87. PubMed ID: 24796376
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Benchmark theoretical study of the π-π binding energy in the benzene dimer.
    Miliordos E; Aprà E; Xantheas SS
    J Phys Chem A; 2014 Sep; 118(35):7568-78. PubMed ID: 24761749
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Electric dipole (hyper)polarizabilities of spatially confined LiH molecule.
    Góra RW; Zaleśny R; Kozłowska J; Naciążek P; Roztoczyńska A; Strasburger K; Bartkowiak W
    J Chem Phys; 2012 Sep; 137(9):094307. PubMed ID: 22957569
    [TBL] [Abstract][Full Text] [Related]  

  • 7. XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods.
    Lane JR; Kjaergaard HG
    J Chem Phys; 2010 May; 132(17):174304. PubMed ID: 20459166
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets.
    Yang J; Hättig C
    J Chem Phys; 2009 Aug; 131(7):074102. PubMed ID: 19708727
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Calculated electronic transitions of the water ammonia complex.
    Lane JR; Vaida V; Kjaergaard HG
    J Chem Phys; 2008 Jan; 128(3):034302. PubMed ID: 18205493
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S; Honda K; Uchimaru T; Mikami M
    J Chem Phys; 2006 Mar; 124(11):114304. PubMed ID: 16555885
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Dependence of the multipole moments, static polarizabilities, and static hyperpolarizabilities of the hydrogen molecule on the H-H separation in the ground singlet state.
    Miliordos E; Hunt KLC
    J Chem Phys; 2018 Dec; 149(23):234103. PubMed ID: 30579318
    [TBL] [Abstract][Full Text] [Related]  

  • 12. On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl-He complex.
    Ajili Y; Hammami K; Jaidane NE; Lanza M; Kalugina YN; Lique F; Hochlaf M
    Phys Chem Chem Phys; 2013 Jul; 15(25):10062-70. PubMed ID: 23443908
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio determination of the electric multipole moments and static (hyper)polarizability of HCCX, X = F, Cl, Br, and I.
    Maroulis G
    J Comput Chem; 2003 Mar; 24(4):443-52. PubMed ID: 12594787
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation.
    Valeev EF
    Phys Chem Chem Phys; 2008 Jan; 10(1):106-13. PubMed ID: 18075688
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment.
    Zhang J; Valeev EF
    J Chem Theory Comput; 2012 Sep; 8(9):3175-86. PubMed ID: 26605729
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.
    Karamanis P; Pouchan C; Leszczynski J
    J Phys Chem A; 2008 Dec; 112(51):13662-71. PubMed ID: 19093824
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?
    Sylvetsky N; Peterson KA; Karton A; Martin JM
    J Chem Phys; 2016 Jun; 144(21):214101. PubMed ID: 27276939
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Correlation consistent basis sets for explicitly correlated wavefunctions: pseudopotential-based basis sets for the post-d main group elements Ga-Rn.
    Hill JG; Peterson KA
    J Chem Phys; 2014 Sep; 141(9):094106. PubMed ID: 25194363
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures.
    Spackman PR; Jayatilaka D; Karton A
    J Chem Phys; 2016 Sep; 145(10):104101. PubMed ID: 27634245
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.